/pyDOSLayer

Python script for plotting VASP DOS layer by layer.

Primary LanguageJupyter NotebookGNU General Public License v3.0GPL-3.0

Layer plotting DOS code

Requirements

  • Python
  • Numpy
  • Matplotlib

Setup

  • To use this, you need to have, OUTCAR, CONTCAR and DOSCAR in the directory.
  • You also need to have the file sh_vasp.py either in the directory or in your PYTHONPATH.

Use

  • Once you have those things set up then you just need to play with this script.
  • See the sample notebook slab_example.ipynb, it contains all the code needed.
  • The parameters you need to set are direction and number of bins - I think the meaning of these is quite clear.

To-do

  • Automate more
  • Allow writing of output files rather than plotting

Disclaimer

This file is not affiliated with VASP. The code is distributed under the GNU General Public License v3.0